UPCMLD0ENAT5783569:001
TL;DR: UPCMLD0ENAT5783569:001 (CAS 579446-41-6) is a chemical compound with molecular formula C22H29N5O2 and molecular weight 395.23 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1,3-dimethyl-7-(3-phenylpropyl)-8-(piperidin-1-ylmethyl)purine-2,6-dione
Also Known As: UPCMLD0ENAT5783569:001, BAS 07401429, 1,3-dimethyl-7-(3-phenylpropyl)-8-(piperidin-1-ylmethyl)-3,7-dihydro-1H-purine-2,6-dione, 1,3-dimethyl-7-(3-phenylpropyl)-8-(piperidin-1-ylmethyl)purine-2,6-dione, 1,3-DI-ME-7-(3-PH-PROPYL)8-(1-PIPERIDINYLMETHYL)-3,7-DIHYDRO-1H-PURINE-2,6-DIONE
| Molecular Formula | C22H29N5O2 |
|---|---|
| Molecular Weight | 395.23 g/mol |
| LogP | 2.5 |
| Topological Polar Surface Area | 61.7 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 6 |
| Exact Mass | 395.23212 |
| Heavy Atoms | 29 |
| Complexity | 588.0 |
Chemical Identifiers
| CAS Number | 579446-41-6 |
|---|---|
| SMILES | CN1C2=C(C(=O)N(C1=O)C)N(C(=N2)CN3CCCCC3)CCCC4=CC=CC=C4 |
| InChIKey | MATNVDGFLMKNBU-UHFFFAOYSA-N |
Product Overview
UPCMLD0ENAT5783569:001 (CAS 579446-41-6), with molecular formula C22H29N5O2 and molecular weight 395.23 g/mol. IUPAC: 1,3-dimethyl-7-(3-phenylpropyl)-8-(piperidin-1-ylmethyl)purine-2,6-dione.
Chemical Property Profile of UPCMLD0ENAT5783569:001
Property Insights of UPCMLD0ENAT5783569:001
The XLogP value of 2.5 suggests moderate lipophilicity, balancing water solubility and membrane permeability for UPCMLD0ENAT5783569:001. The TPSA of 61.7 Ų falls within the moderate polarity range, balancing permeability and solubility for UPCMLD0ENAT5783569:001. Following Lipinski's Rule of Five, UPCMLD0ENAT5783569:001 has 0 hydrogen bond donor(s) and 4 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of UPCMLD0ENAT5783569:001?
The CAS number of UPCMLD0ENAT5783569:001 is 579446-41-6.
What is the molecular formula of UPCMLD0ENAT5783569:001?
The molecular formula of UPCMLD0ENAT5783569:001 is C22H29N5O2.
What is the molecular weight of UPCMLD0ENAT5783569:001?
The molecular weight of UPCMLD0ENAT5783569:001 is 395.23 g/mol.
Where can I buy UPCMLD0ENAT5783569:001?
You can request a quote for UPCMLD0ENAT5783569:001 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for UPCMLD0ENAT5783569:001?
Yes, KEHONG BIO provides custom synthesis services for UPCMLD0ENAT5783569:001 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.